CID 11970848

Alpha-butyl-2-hydroxycyclohexanemethanol

Structural Information

Molecular Formula

C₁₁H₂₂O₂

SMILES

CCCCC(C1CCCCC1O)O

InChI

InChI=1S/C11H22O2/c1-2-3-7-10(12)9-6-4-5-8-11(9)13/h9-13H,2-8H2,1H3

InChIKey

SHHNDYQHPWSWAE-UHFFFAOYSA-N

Compound name

2-(1-hydroxypentyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.16199 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.169266	146.4
[M+Na]+	209.151208	149.6
[M-H]-	185.154714	146.0
[M+NH4]+	204.195813	164.7
[M+K]+	225.125148	147.6
[M+H-H2O]+	169.159250	141.1
[M+HCOO]-	231.160191	162.3
[M+CH3COO]-	245.175841	179.3
[M+Na-2H]-	207.136656	147.5
[M]+	186.16144142	141.5
[M]-	186.16253858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.